HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=id&page=1233",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=id&page=1231",
"results": [
{
"id": "jvasp-12178",
"created_at": "2022-09-04T14:36:10.343621Z",
"updated_at": "2022-09-04T14:36:10.343655Z",
"structure_string": "Li2 W1 S4\n1.0\n5.946643 0.000000 0.000000\n0.000000 5.946643 -0.000000\n0.000000 0.000000 5.209040\nLi W S\n2 1 4\ndirect\n0.000000 0.500000 0.000000 Li\n0.500000 0.000000 0.000000 Li\n0.000000 0.000000 0.000000 W\n0.217802 0.217802 0.237934 S\n0.217802 0.782197 0.762066 S\n0.782197 0.217802 0.762066 S\n0.782197 0.782197 0.237934 S\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Li",
"W",
"S"
],
"chemical_system": "Li-S-W",
"density": 2.9386055279980177,
"density_atomic": 0.038001139000569506,
"volume": 184.2050050103786,
"volume_molar": 15.847263840985788,
"formula_full": "Li2 W1 S4",
"formula_reduced": "Li2WS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.6272214285714286,
"spacegroup": 111
},
{
"id": "jvasp-121786",
"created_at": "2022-09-04T14:38:55.473171Z",
"updated_at": "2022-09-04T14:38:55.473189Z",
"structure_string": "Li3 Co8 O4 F12\n1.0\n5.665763 0.027331 1.847424\n2.611400 5.028142 1.847424\n0.005770 0.003524 10.319021\nLi Co O F\n3 8 4 12\ndirect\n0.994694 0.994694 0.001649 Li\n0.828396 0.828394 0.554734 Li\n0.181885 0.181884 0.448640 Li\n0.022564 0.466093 0.006191 Co\n0.466093 0.022564 0.006191 Co\n0.274934 0.739657 0.739935 Co\n0.256140 0.256139 0.728394 Co\n0.739658 0.274933 0.739935 Co\n0.275334 0.745873 0.241411 Co\n0.745873 0.275334 0.241411 Co\n0.731329 0.731328 0.266597 Co\n0.647393 0.647393 0.121326 O\n0.111539 0.111539 0.130118 O\n0.368604 0.368602 0.859908 O\n0.111941 0.111940 0.653206 O\n0.106667 0.640040 0.128433 F\n0.354256 0.889623 0.879457 F\n0.889624 0.354255 0.879457 F\n0.875235 0.875233 0.890109 F\n0.132103 0.631180 0.626790 F\n0.638663 0.638661 0.620577 F\n0.631181 0.132102 0.626790 F\n0.378564 0.378563 0.360422 F\n0.362951 0.869684 0.375459 F\n0.875985 0.875984 0.359222 F\n0.869685 0.362950 0.375459 F\n0.640040 0.106666 0.128433 F\n",
"nsites": 27,
"nelements": 4,
"elements": [
"Li",
"Co",
"O",
"F"
],
"chemical_system": "Co-F-Li-O",
"density": 4.442285114272964,
"density_atomic": 0.0920994751260382,
"volume": 293.1612798341194,
"volume_molar": 6.538735157565987,
"formula_full": "Li3 Co8 O4 F12",
"formula_reduced": "Li3Co8(OF3)4",
"formula_anonymous": "A3B4C8D12",
"energy_above_hull": null,
"spacegroup": 8
},
{
"id": "jvasp-12179",
"created_at": "2022-09-04T14:37:12.653093Z",
"updated_at": "2022-09-04T14:37:12.653103Z",
"structure_string": "Ta4 Se2\n1.0\n3.391702 -0.000000 -0.000000\n0.000000 3.391702 -0.000000\n-0.000000 0.000000 10.132253\nTa Se\n4 2\ndirect\n0.250000 0.250000 0.763937 Ta\n0.750000 0.750000 0.236062 Ta\n0.750000 0.750000 0.924922 Ta\n0.250000 0.250000 0.075078 Ta\n0.750000 0.750000 0.641206 Se\n0.250000 0.250000 0.358794 Se\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ta",
"Se"
],
"chemical_system": "Se-Ta",
"density": 12.561289128996751,
"density_atomic": 0.05147659948098523,
"volume": 116.55781579387971,
"volume_molar": 11.698792889814912,
"formula_full": "Ta4 Se2",
"formula_reduced": "Ta2Se",
"formula_anonymous": "AB2",
"energy_above_hull": 4.236767255555555,
"spacegroup": 129
},
{
"id": "jvasp-121794",
"created_at": "2022-09-04T14:38:55.162475Z",
"updated_at": "2022-09-04T14:38:55.162501Z",
"structure_string": "Ta2 In6 O14\n1.0\n6.270974 -0.008776 0.049087\n-0.897912 5.950297 -1.800689\n0.028873 0.034057 7.466050\nTa In O\n2 6 14\ndirect\n0.000000 0.000000 0.000000 Ta\n-0.000000 0.000000 0.500000 Ta\n0.728040 0.469315 0.118846 In\n0.738814 0.454770 0.604856 In\n0.534355 0.993681 0.754215 In\n0.465645 0.006319 0.245785 In\n0.261185 0.545231 0.395144 In\n0.271959 0.530685 0.881154 In\n0.290048 0.909526 0.941697 O\n0.068087 0.356969 0.611286 O\n0.093365 0.048521 0.263255 O\n0.438418 0.659755 0.168356 O\n0.478530 0.644085 0.661232 O\n0.521470 0.355915 0.338769 O\n0.709951 0.090474 0.058303 O\n0.906635 0.951480 0.736745 O\n0.931913 0.643031 0.388714 O\n0.100099 0.322250 0.033703 O\n0.899900 0.677750 0.966297 O\n0.707952 0.056668 0.470107 O\n0.561582 0.340246 0.831644 O\n0.292048 0.943333 0.529893 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ta",
"In",
"O"
],
"chemical_system": "In-O-Ta",
"density": 7.589834209685578,
"density_atomic": 0.07887972696848192,
"volume": 278.90563070522,
"volume_molar": 7.634586213015513,
"formula_full": "Ta2 In6 O14",
"formula_reduced": "TaIn3O7",
"formula_anonymous": "AB3C7",
"energy_above_hull": null,
"spacegroup": 2
},
{
"id": "jvasp-121795",
"created_at": "2022-09-04T14:38:55.559104Z",
"updated_at": "2022-09-04T14:38:55.559131Z",
"structure_string": "Ba4 Si4 Pd4\n1.0\n6.730247 -0.000000 0.000000\n0.000000 6.730247 0.000000\n-0.000000 -0.000000 6.730247\nBa Si Pd\n4 4 4\ndirect\n0.366497 0.866498 0.633503 Ba\n0.866498 0.633503 0.366497 Ba\n0.633503 0.366497 0.866498 Ba\n0.133503 0.133503 0.133503 Ba\n0.657291 0.157290 0.342710 Si\n0.157290 0.342710 0.657291 Si\n0.342710 0.657291 0.157290 Si\n0.842710 0.842710 0.842710 Si\n0.092978 0.592978 0.907022 Pd\n0.592978 0.907022 0.092978 Pd\n0.907022 0.092978 0.592978 Pd\n0.407022 0.407022 0.407022 Pd\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ba",
"Si",
"Pd"
],
"chemical_system": "Ba-Pd-Si",
"density": 5.92266895629122,
"density_atomic": 0.03936300421251376,
"volume": 304.8547802706868,
"volume_molar": 15.298986651241224,
"formula_full": "Ba4 Si4 Pd4",
"formula_reduced": "BaSiPd",
"formula_anonymous": "ABC",
"energy_above_hull": null,
"spacegroup": 198
},
{
"id": "jvasp-121796",
"created_at": "2022-09-04T14:38:55.206060Z",
"updated_at": "2022-09-04T14:38:55.206085Z",
"structure_string": "Rb8 As1 O3\n1.0\n7.161716 -0.000000 0.000000\n0.000000 7.161716 0.000000\n-0.000000 -0.000000 7.161716\nRb As O\n8 1 3\ndirect\n0.265279 0.265279 0.265279 Rb\n0.734722 0.734722 0.265279 Rb\n0.734722 0.265279 0.734722 Rb\n0.265279 0.734722 0.734722 Rb\n0.265279 0.265279 0.734722 Rb\n0.734722 0.734722 0.734722 Rb\n0.734722 0.265279 0.265279 Rb\n0.265279 0.734722 0.265279 Rb\n0.000000 0.000000 0.000000 As\n-0.000000 0.500000 0.500000 O\n0.500000 0.500000 -0.000000 O\n0.500000 0.000000 0.500000 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Rb",
"As",
"O"
],
"chemical_system": "As-O-Rb",
"density": 3.64661168385669,
"density_atomic": 0.03266855771573477,
"volume": 367.32567456506393,
"volume_molar": 18.43405764160639,
"formula_full": "Rb8 As1 O3",
"formula_reduced": "Rb8AsO3",
"formula_anonymous": "AB3C8",
"energy_above_hull": null,
"spacegroup": 221
},
{
"id": "jvasp-121797",
"created_at": "2022-09-04T14:38:55.386022Z",
"updated_at": "2022-09-04T14:38:55.386048Z",
"structure_string": "Ti4 Si4 Ir4\n1.0\n3.881154 0.000000 0.000000\n0.000000 6.279230 0.000000\n0.000000 0.000000 7.256737\nTi Si Ir\n4 4 4\ndirect\n0.250000 0.023255 0.820384 Ti\n0.250000 0.523255 0.679617 Ti\n0.749999 0.976745 0.179617 Ti\n0.749999 0.476745 0.320384 Ti\n0.250000 0.771217 0.376629 Si\n0.250000 0.271217 0.123371 Si\n0.749999 0.228783 0.623371 Si\n0.749999 0.728783 0.876629 Si\n0.250000 0.157419 0.437911 Ir\n0.250000 0.657419 0.062089 Ir\n0.749999 0.842581 0.562089 Ir\n0.749999 0.342581 0.937911 Ir\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ti",
"Si",
"Ir"
],
"chemical_system": "Ir-Si-Ti",
"density": 10.071863262071313,
"density_atomic": 0.06785355340629005,
"volume": 176.85146020499488,
"volume_molar": 8.875203224716815,
"formula_full": "Ti4 Si4 Ir4",
"formula_reduced": "TiSiIr",
"formula_anonymous": "ABC",
"energy_above_hull": null,
"spacegroup": 62
},
{
"id": "jvasp-121798",
"created_at": "2022-09-04T14:38:55.581217Z",
"updated_at": "2022-09-04T14:38:55.581248Z",
"structure_string": "Gd2 P2 O8\n1.0\n5.590877 0.031710 -1.605886\n-3.164587 4.609154 -1.605886\n-0.016578 -0.031710 5.816915\nGd P O\n2 2 8\ndirect\n0.249999 0.749999 0.499999 Gd\n0.000000 0.000000 0.000000 Gd\n0.500000 0.499999 -0.000001 P\n0.750000 0.250000 0.500000 P\n0.482885 0.657016 0.825870 O\n0.907017 0.232886 0.325870 O\n0.907017 0.581146 0.674129 O\n0.831146 0.657016 0.174129 O\n0.767114 0.092983 0.674130 O\n0.342983 0.517113 0.174129 O\n0.342983 0.168853 0.825870 O\n0.418853 0.092983 0.325870 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Gd",
"P",
"O"
],
"chemical_system": "Gd-O-P",
"density": 5.587540806059121,
"density_atomic": 0.08004625059782268,
"volume": 149.91333023568762,
"volume_molar": 7.523326470663957,
"formula_full": "Gd2 P2 O8",
"formula_reduced": "GdPO4",
"formula_anonymous": "ABC4",
"energy_above_hull": null,
"spacegroup": 141
},
{
"id": "jvasp-121799",
"created_at": "2022-09-04T14:38:55.567848Z",
"updated_at": "2022-09-04T14:38:55.567877Z",
"structure_string": "Ti6 H6 Au2\n1.0\n5.288407 -0.000000 0.000000\n0.000000 5.288407 0.000000\n0.000000 -0.000000 5.288407\nTi H Au\n6 6 2\ndirect\n-0.000000 0.500000 0.750000 Ti\n0.500000 0.250000 -0.000000 Ti\n0.750000 0.000000 0.500000 Ti\n-0.000000 0.500000 0.250000 Ti\n0.500000 0.750000 -0.000000 Ti\n0.250000 0.000000 0.500000 Ti\n0.500000 0.000000 0.750000 H\n-0.000000 0.250000 0.500000 H\n0.750000 0.500000 -0.000000 H\n0.500000 0.000000 0.250000 H\n-0.000000 0.750000 0.500000 H\n0.250000 0.500000 -0.000000 H\n0.500000 0.500000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ti",
"H",
"Au"
],
"chemical_system": "Au-H-Ti",
"density": 7.715192206783807,
"density_atomic": 0.09465714937644833,
"volume": 147.90219325454717,
"volume_molar": 6.362055903511469,
"formula_full": "Ti6 H6 Au2",
"formula_reduced": "Ti3H3Au",
"formula_anonymous": "AB3C3",
"energy_above_hull": null,
"spacegroup": 223
},
{
"id": "jvasp-12180",
"created_at": "2022-09-04T14:38:32.399192Z",
"updated_at": "2022-09-04T14:38:32.399221Z",
"structure_string": "Ta2 Ni2 Te10\n1.0\n3.717606 0.000000 0.000000\n-1.858803 6.727965 0.000000\n0.000000 0.000000 15.283072\nTa Ni Te\n2 2 10\ndirect\n0.511206 0.022412 0.250000 Ta\n0.488796 0.977587 0.750000 Ta\n0.000000 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.394817 0.789631 0.574343 Te\n0.100705 0.201410 0.645110 Te\n0.605185 0.210368 0.425657 Te\n0.605185 0.210368 0.074343 Te\n0.394817 0.789631 0.925657 Te\n0.170722 0.341441 0.250000 Te\n0.899296 0.798589 0.145110 Te\n0.829280 0.658558 0.750000 Te\n0.100705 0.201410 0.854890 Te\n0.899296 0.798589 0.354890 Te\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ta",
"Ni",
"Te"
],
"chemical_system": "Ni-Ta-Te",
"density": 7.6249744407654845,
"density_atomic": 0.03662438094604253,
"volume": 382.2590208589663,
"volume_molar": 16.44298307423194,
"formula_full": "Ta2 Ni2 Te10",
"formula_reduced": "TaNiTe5",
"formula_anonymous": "ABC5",
"energy_above_hull": 1.9691357761904755,
"spacegroup": 63
},
{
"id": "jvasp-121801",
"created_at": "2022-09-04T14:38:55.565316Z",
"updated_at": "2022-09-04T14:38:55.565341Z",
"structure_string": "Ca4 Fe2 Cu2 S2 O6\n1.0\n3.782965 -0.000411 -0.000181\n0.000414 3.782833 -0.001331\n0.000581 0.005263 15.013663\nCa Fe Cu S O\n4 2 2 2 6\ndirect\n0.749943 0.750022 0.190639 Ca\n0.250054 0.249976 0.809361 Ca\n0.749972 0.750000 0.415181 Ca\n0.250030 0.249978 0.584817 Ca\n0.249952 0.250015 0.306189 Fe\n0.750048 0.749973 0.693809 Fe\n0.250000 0.750025 0.000003 Cu\n0.749981 0.250020 0.999999 Cu\n0.750018 0.749998 0.899706 S\n0.249973 0.250018 0.100297 S\n0.750026 0.749979 0.564024 O\n0.249981 0.250004 0.435974 O\n0.750056 0.249971 0.710901 O\n0.250052 0.749970 0.710871 O\n0.249944 0.750018 0.289100 O\n0.749950 0.250021 0.289131 O\n",
"nsites": 16,
"nelements": 5,
"elements": [
"Ca",
"Fe",
"Cu",
"S",
"O"
],
"chemical_system": "Ca-Cu-Fe-O-S",
"density": 4.322110720903346,
"density_atomic": 0.07447041388498667,
"volume": 214.85042401819686,
"volume_molar": 8.086621848645414,
"formula_full": "Ca4 Fe2 Cu2 S2 O6",
"formula_reduced": "Ca2FeCuSO3",
"formula_anonymous": "ABCD2E3",
"energy_above_hull": null,
"spacegroup": 129
},
{
"id": "jvasp-121802",
"created_at": "2022-09-04T14:38:55.583076Z",
"updated_at": "2022-09-04T14:38:55.583104Z",
"structure_string": "Sb2 Pb2 F14\n1.0\n4.628096 -0.007450 -0.986834\n-0.526135 7.133059 -2.087868\n0.005039 -0.037733 7.659213\nSb Pb F\n2 2 14\ndirect\n0.351827 0.182919 0.282969 Sb\n0.648176 0.817082 0.717031 Sb\n0.830658 0.647424 0.203933 Pb\n0.169344 0.352577 0.796067 Pb\n0.791831 0.582476 0.599076 F\n0.208171 0.417525 0.400925 F\n0.344569 0.684997 0.774052 F\n0.655433 0.315004 0.225949 F\n0.413166 0.800952 0.475175 F\n0.586836 0.199048 0.524825 F\n0.484524 0.945810 0.168735 F\n0.112238 0.185232 0.046552 F\n0.951585 0.947282 0.659109 F\n0.048418 0.052718 0.340891 F\n0.281533 0.565222 0.093002 F\n0.718469 0.434779 0.906998 F\n0.515478 0.054190 0.831265 F\n0.887764 0.814769 0.953448 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Sb",
"Pb",
"F"
],
"chemical_system": "F-Pb-Sb",
"density": 6.076612339546273,
"density_atomic": 0.07129532922652185,
"volume": 252.47095700771382,
"volume_molar": 8.446753560624227,
"formula_full": "Sb2 Pb2 F14",
"formula_reduced": "SbPbF7",
"formula_anonymous": "ABC7",
"energy_above_hull": null,
"spacegroup": 2
}
]
}